| SpectraBase Compound ID | ErjthdMN1Bs |
|---|---|
| InChI | InChI=1S/C17H19NO4/c1-10(19)21-14-9-12-15(20-4)11-7-5-6-8-13(11)18-16(12)22-17(14,2)3/h5-8,14H,9H2,1-4H3/t14-/m0/s1 |
| InChIKey | DWWHRQMMYJRKFF-AWEZNQCLSA-N |
| Mol Weight | 301.34 g/mol |
| Molecular Formula | C17H19NO4 |
| Exact Mass | 301.131408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9EhvklEhXrP |
|---|---|
| Name | (-)-(S)-o-acetylgeibalansine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.131408092 u |
| Formula | C17H19NO4 |
| InChI | InChI=1S/C17H19NO4/c1-10(19)21-14-9-12-15(20-4)11-7-5-6-8-13(11)18-16(12)22-17(14,2)3/h5-8,14H,9H2,1-4H3/t14-/m0/s1 |
| InChIKey | DWWHRQMMYJRKFF-AWEZNQCLSA-N |
| Molecular Weight | 301.342 g/mol |
| SMILES | C1=2C(=NC=3C(C2OC)=CC=CC3)OC([C@](C1)(OC(=O)C)[H])(C)C |